Compound Detail
CHEMBL2324213
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N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccc2ccccc2c1)[C@@H](O)C(=O)NO)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL2324213 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GKJYUVFJPIJHOK-GYUKIKGESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
630.7
MW (Da)
0.31
ALogP
7
HBA
10
HBD
248.5
PSA (Ų)
0.03
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-degrading enzyme CHEMBL1293287 | Ki | 6.3 | 6.3 | 498.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-degrading enzyme | Ki | = | 498.0 | nM | 6.3 | Inhibition of human recombinant IDE-mediated FRET1 degradation | 23437776 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23437776 | 10.1021/jm301280p | Insulin-degrading enzyme | 1 |
Data from ChEMBL 36 via Core Engine